Information card for entry 4307185

Structure parameters

• Formula: C64 H80 N12 O2 Yb4
• Calculated formula: C64 H80 N12 O2 Yb4
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Yb]16789%102345([c]2([cH]8[cH]7[cH]6[cH]12)C)[n]1cn2[n](c1)[Yb]1345678%112([c]2([cH]5[cH]4[cH]3[cH]12)C)([c]1([cH]%11[cH]8[cH]7[cH]61)C)[n]1cn2[n](c1)[Yb]1345678%112([c]2([cH]5[cH]4[cH]3[cH]12)C)([c]1([cH]%11[cH]8[cH]7[cH]61)C)[n]1cn2[n](c1)[Yb]1345678%112([c]2([cH]5[cH]4[cH]3[cH]12)C)([c]1([cH]%11[cH]8[cH]7[cH]61)C)[n]1cn9[n]%10c1)C.O1CCCC1.O1CCCC1
• Title of publication: Facile Construction of Lanthanide Metallomacrocycles with the Bridging Imidazolate and Triazolate Ligands and Their Ring Expansions
• Authors of publication: Jie Zhang; Ruifang Cai; Zhenxia Chen; Xigeng Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 321 - 327
• a: 27.827 ± 0.003 Å
• b: 27.827 ± 0.003 Å
• c: 27.827 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21548 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0849
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No